2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid

C12H20N2O3 — CID 63005504

IUPAC2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)6-9-2-1-5-14(8-9)12(17)10-3-4-13-7-10/h9-10,13H,1-8H2,(H,15,16)
InChIKeySMMLPTCKJQCBCB-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds3

About 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 63005504) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID63005504
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)6-9-2-1-5-14(8-9)12(17)10-3-4-13-7-10/h9-10,13H,1-8H2,(H,15,16)
InChIKeySMMLPTCKJQCBCB-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120944
[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 125120891
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119867686
pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid (CID 63005504) is 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)C2CCNC2)C1.
What is the InChIKey of 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is SMMLPTCKJQCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)6-9-2-1-5-14(8-9)12(17)10-3-4-13-7-10/h9-10,13H,1-8H2,(H,15,16).
What are the key properties of 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 63005504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).